SCHEMBL9014677

SCHEMBL9014677

CC(=O)OC[CH]OC(=O)C(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.36
ALOX15 P16050 1/20 0.36
LMNA P02545 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PRKCA P17252 1/20 0.32
BTN3A1 O00481 2/20 0.31
PGR P06401 1/20 0.30
CHRM2 P08172 1/20 0.30
CHRM4 P08173 1/20 0.30
HTR1A P08908 1/20 0.30
CHRM5 P08912 1/20 0.30
CHRM1 P11229 1/20 0.30
CHRNB2 P17787 1/20 0.30
CHRM3 P20309 1/20 0.30
TBXA2R P21731 1/20 0.30
CHRNB4 P30926 1/20 0.30
CHRNA3 P32297 1/20 0.30
CHRNA7 P36544 1/20 0.30
CHRNA4 P43681 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL28167617 0.87 PRKCA (0.38) PRKCABTN3A1GAA
SCHEMBL5270258 0.83 PRKCA (0.36) ALDH1A1LMNAHSD17B10PRKCABTN3A1
SCHEMBL10013020 0.80 ALOX15 (0.40) ALDH1A1ALOX15LMNAHSD17B10PRKCA
SCHEMBL10735935 0.80 PRKCA (0.34) PRKCA
SCHEMBL4441418 0.80 ALDH1A1 (0.43) ALDH1A1ALOX15LMNAHSD17B10PGR
SCHEMBL11201836 0.79 ALDH1A1 (0.48) ALDH1A1ALOX15LMNAHSD17B10PRKCA
SCHEMBL4156482 0.78 PRKCA (0.31) PRKCA
SCHEMBL4705394 0.77 ALDH1A1 (0.39) ALDH1A1TSHR
SCHEMBL9691314 0.74 ALDH1A1 (0.39) ALDH1A1ALOX15LMNAHSD17B10PGR
SCHEMBL450210 0.73 ELANE (0.32) PRKCA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5510367-A TREATMENT OR PREVENTION OF NEUROTOXIC INJURIES SUCH AS CEREBRAL STROKE, HEMMORHAGIC STROKE, CEREBRAL ISCHEMIA, VASOSPASM, HYPOGLYCEMIA, ANAESIA, HYPOXIA, ASHYXIA, CARDIAC ARREST AND NEURODEGENERATIVE DISEASES GLAXO SPA (IT) 1996-04-23 US disclosed
US-5374649-A Nervous system disorders GLAXO S.P.A. (IT) 1994-12-20 US disclosed
US-5373018-A Antagonist to excitory amino acids on N-methyl aspartic acid receptor complex, theraputically effective in treatment of central nervous system disorder GLAXO S.P.A. (IT) 1994-12-13 US disclosed
EP-0568136-A1 Indole-2-carboxylic acid derivatives GLAXO S.p.A. (IT) 1993-11-03 EP disclosed
WO-1993021153-A1 INDOLE-2-CARBOXYLIC ACID DERIVATIVES GLAXO S.P.A. (IT) 1993-10-28 WO disclosed
US-4075203-A Process for preparing a 3-exomethylenecepham sulfoxide from penicillin sulfoxides ELI LILLY AND COMPANY (US) 1978-02-21 US disclosed